Chemical Properties of Hexanal, 2-ethyl- (CAS 123-05-7)

Hexanal, 2-ethyl-

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InChI
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
InChI Key
LGYNIFWIKSEESD-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCCCC(C=O)CC
Molecular Weight1
128.21
CAS
123-05-7
Other Names
  • 2-Ethylcaproaldehyde
  • 2-Ethylhexaldehyde
  • 2-Ethylhexan-1-al
  • 2-Ethylhexanal
  • 2-Ethylhexylaldehyde
  • 3-Formylheptane
  • Butylethylacetaldehyde
  • Ethylbutylacetaldehyde
  • NSC 42871
  • «alpha»-Ethylcaproaldehyde
  • «alpha»-Ethylhexanal
  • «alpha»-Ethylcaproaldehyde
  • «alpha»-Ethylhexanal
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Physical Properties

Property Value Unit Source
Δcliquid -5086.20 ± 0.75 kJ/mol NIST
Δf -85.48 kJ/mol Joback Calculated Property
Δfgas -299.31 kJ/mol Joback Calculated Property
Δfliquid -348.60 ± 0.75 kJ/mol NIST
Δfus 15.24 kJ/mol Joback Calculated Property
Δvap 39.73 kJ/mol Joback Calculated Property
log10WS [-2.13; -2.13]   Show Hide
log10WS -2.13 Aq. Sol...
log10WS -2.13 Estimat...
logPoct/wat 2.402 Crippen Calculated Property
McVol 125.150 ml/mol McGowan Calculated Property
Pc 2758.46 kPa Joback Calculated Property
Inp [926.00; 963.00]   Show Hide
Inp 940.00 NIST
Inp 933.00 NIST
Inp 935.00 NIST
Inp 938.00 NIST
Inp 926.00 NIST
Inp 941.00 NIST
Inp 956.00 NIST
Inp 954.50 NIST
Inp 963.00 NIST
Inp 933.00 NIST
Inp 959.00 NIST
Inp 933.00 NIST
Inp 959.00 NIST
Inp 933.00 NIST
Inp 932.00 NIST
Inp 959.00 NIST
Inp 933.00 NIST
Inp 940.00 NIST
Inp 941.00 NIST
I [1197.80; 1220.60]   Show Hide
I 1220.60 NIST
I 1197.80 NIST
I 1205.90 NIST
I 1213.10 NIST
I 1216.00 NIST
I 1198.00 NIST
I 1216.00 NIST
I 1220.60 NIST
Tboil [433.15; 437.15] K Show Hide
Tboil 437.15 K NIST
Tboil 433.15 ± 2.00 K NIST
Tboil 434.65 ± 3.00 K NIST
Tc 605.22 K Joback Calculated Property
Tfus 206.92 K Joback Calculated Property
Vc 0.494 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [256.75; 324.51] J/mol×K [430.66; 605.22] Show Hide
Cp,gas 256.75 J/mol×K 430.66 Joback Calculated Property
Cp,gas 269.26 J/mol×K 459.75 Joback Calculated Property
Cp,gas 281.26 J/mol×K 488.85 Joback Calculated Property
Cp,gas 292.77 J/mol×K 517.94 Joback Calculated Property
Cp,gas 303.81 J/mol×K 547.04 Joback Calculated Property
Cp,gas 314.39 J/mol×K 576.13 Joback Calculated Property
Cp,gas 324.51 J/mol×K 605.22 Joback Calculated Property
η [0.0003026; 0.0077983] Pa×s [206.92; 430.66] Show Hide
η 0.0077983 Pa×s 206.92 Joback Calculated Property
η 0.0030008 Pa×s 244.21 Joback Calculated Property
η 0.0014872 Pa×s 281.50 Joback Calculated Property
η 0.0008686 Pa×s 318.79 Joback Calculated Property
η 0.0005678 Pa×s 356.08 Joback Calculated Property
η 0.0004023 Pa×s 393.37 Joback Calculated Property
η 0.0003026 Pa×s 430.66 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 328.20 K 1.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [329.54; 462.95] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53956e+01
Coefficient B-4.04583e+03
Coefficient C-6.17460e+01
Temperature range, min.329.54
Temperature range, max.462.95
Pvap 1.33 kPa 329.54 Calculated Property
Pvap 2.94 kPa 344.36 Calculated Property
Pvap 6.01 kPa 359.19 Calculated Property
Pvap 11.46 kPa 374.01 Calculated Property
Pvap 20.62 kPa 388.83 Calculated Property
Pvap 35.26 kPa 403.66 Calculated Property
Pvap 57.65 kPa 418.48 Calculated Property
Pvap 90.63 kPa 433.30 Calculated Property
Pvap 137.62 kPa 448.13 Calculated Property
Pvap 202.63 kPa 462.95 Calculated Property

Similar Compounds

2-propyl hexanal. Cyclooctanecarboxaldehyde. Cyclohexanecarboxaldehyde. Heptanal, 2-methyl-. Undecanal, 2-methyl-. 2-Methyl-decanal. Hexanal, 2-methyl-. 3,3-dimethylcyclohexanecarboxaldehyde. Cyclopentanecarboxaldehyde. p-menthen-9-al. p-Menth-9-enal. Pentanal, 2-methyl-. Farnasal. Octanal, 3,7-dimethyl-. 2,2-dimethylcyclohexane-1-carboxaldehyde.

Find more compounds similar to Hexanal, 2-ethyl-.

Sources

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